/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | force_env_types.F | 136 INTEGER :: id_nr, ref_count, in_use, method_name_id component 306 method_name_id, root_section, mixed_env, embed_env) argument 327 INTEGER, INTENT(out), OPTIONAL :: method_name_id local 420 IF (PRESENT(method_name_id)) method_name_id = force_env%method_name_id 622 method_name_id, additional_potential) argument 628 INTEGER, OPTIONAL :: method_name_id local 657 IF (PRESENT(method_name_id)) THEN 658 force_env%method_name_id = method_name_id
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H A D | f77_interface.F | 566 INTEGER :: handle, i, ierr2, iforce_eval, isubforce_eval, k, method_name_id, my_group, & local 719 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id, & 721 IF ((method_name_id /= do_mixed) .AND. (method_name_id /= do_embed)) & 727 IF (method_name_id .EQ. do_mixed) THEN 740 IF (method_name_id .EQ. do_embed) THEN 768 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 770 IF (method_name_id == do_qmmm) THEN 774 method_name_id = do_qmmmx ! QMMM Force-Mixing has its own (hidden) method_id 777 SELECT CASE (method_name_id) 851 "Invalid METHOD <"//TRIM(enum_i2c(enum, method_name_id))// &
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H A D | topology_coordinate_util.F | 104 method_name_id, n, natom local 375 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 378 IF ((method_name_id == do_fist) .AND. (.NOT. disable_exclusion_lists)) THEN 688 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 689 IF (method_name_id == do_fist) THEN 720 IF (method_name_id == do_fist) THEN
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H A D | mscfg_methods.F | 431 method_name_id, scf_guess_type local 445 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 447 IF (method_name_id .EQ. do_qs) THEN
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H A D | bsse.F | 242 INTEGER :: i, ir, isize, j, k, method_name_id, & local 260 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 318 IF (method_name_id == do_qs) THEN
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H A D | environment.F | 498 INTEGER :: cpuid, cpuid_static, i_diag, i_fft, iforce_eval, method_name_id, n_rep_val, & local 609 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id) 610 SELECT CASE (method_name_id)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | force_env_types.F | 136 INTEGER :: id_nr, ref_count, in_use, method_name_id component 306 method_name_id, root_section, mixed_env, embed_env) argument 327 INTEGER, INTENT(out), OPTIONAL :: method_name_id local 420 IF (PRESENT(method_name_id)) method_name_id = force_env%method_name_id 622 method_name_id, additional_potential) argument 628 INTEGER, OPTIONAL :: method_name_id local 657 IF (PRESENT(method_name_id)) THEN 658 force_env%method_name_id = method_name_id
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H A D | f77_interface.F | 568 INTEGER :: handle, i, ierr2, iforce_eval, isubforce_eval, k, method_name_id, my_group, & local 721 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id, & 723 IF ((method_name_id /= do_mixed) .AND. (method_name_id /= do_embed)) & 729 IF (method_name_id .EQ. do_mixed) THEN 742 IF (method_name_id .EQ. do_embed) THEN 770 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 772 IF (method_name_id == do_qmmm) THEN 776 method_name_id = do_qmmmx ! QMMM Force-Mixing has its own (hidden) method_id 779 SELECT CASE (method_name_id) 853 "Invalid METHOD <"//TRIM(enum_i2c(enum, method_name_id))// &
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H A D | topology_coordinate_util.F | 104 method_name_id, n, natom local 375 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 378 IF ((method_name_id == do_fist) .AND. (.NOT. disable_exclusion_lists)) THEN 688 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 689 IF (method_name_id == do_fist) THEN 720 IF (method_name_id == do_fist) THEN
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H A D | mscfg_methods.F | 431 method_name_id, scf_guess_type local 445 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 447 IF (method_name_id .EQ. do_qs) THEN
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H A D | bsse.F | 242 INTEGER :: i, ir, isize, j, k, method_name_id, & local 260 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 318 IF (method_name_id == do_qs) THEN
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H A D | environment.F | 501 INTEGER :: cpuid, cpuid_static, i_diag, i_fft, iforce_eval, method_name_id, n_rep_val, & local 612 CALL section_vals_val_get(force_env_sections, "METHOD", i_val=method_name_id) 613 SELECT CASE (method_name_id)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/ |
H A D | cp2k_runs.F | 309 IF (method_name_id /= do_qs .AND. & 311 method_name_id /= do_qmmm .AND. & 312 method_name_id /= do_mixed .AND. & 313 method_name_id /= do_embed .AND. & 314 method_name_id /= do_fist) & 347 IF (method_name_id /= do_qs) & 352 IF (method_name_id /= do_qs) & 358 IF (method_name_id /= do_qs) & 366 IF (method_name_id /= do_qs .AND. & 367 method_name_id /= do_qmmm) & [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/start/ |
H A D | cp2k_runs.F | 310 IF (method_name_id /= do_qs .AND. & 312 method_name_id /= do_qmmm .AND. & 313 method_name_id /= do_mixed .AND. & 314 method_name_id /= do_embed .AND. & 315 method_name_id /= do_fist) & 348 IF (method_name_id /= do_qs) & 353 IF (method_name_id /= do_qs) & 359 IF (method_name_id /= do_qs) & 367 IF (method_name_id /= do_qs .AND. & 368 method_name_id /= do_qmmm) & [all …]
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/dports/devel/jsl/jsl-0.3.0/src/liveconnect/ |
H A D | jsj_method.c | 658 jsid method_name_id, in jsj_ResolveExplicitMethod() argument 677 JS_IdToValue(cx, method_name_id, &method_name_jsval); in jsj_ResolveExplicitMethod() 742 member_descriptor->id = method_name_id; in jsj_ResolveExplicitMethod()
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H A D | jsj_private.h | 534 jsid method_name_id,
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/dports/lang/spidermonkey17/js/src/liveconnect/ |
H A D | jsj_method.c | 658 jsid method_name_id, in jsj_ResolveExplicitMethod() argument 677 JS_IdToValue(cx, method_name_id, &method_name_jsval); in jsj_ResolveExplicitMethod() 742 member_descriptor->id = method_name_id; in jsj_ResolveExplicitMethod()
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H A D | jsj_private.h | 529 jsid method_name_id,
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | mc_types.F | 1227 method_name_id, nmol_types, stop_num local 1256 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 1257 SELECT CASE (method_name_id)
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | mc_types.F | 1227 method_name_id, nmol_types, stop_num local 1256 CALL section_vals_val_get(force_env_section, "METHOD", i_val=method_name_id) 1257 SELECT CASE (method_name_id)
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